SCHEMBL2985387

SCHEMBL2985387

C=CCOBO.CC(C)(O)C(C)(C)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL622200 0.85
SCHEMBL20591004 0.79 TDP1 (0.32)
SCHEMBL2251688 0.73
SCHEMBL5271352 0.72
SCHEMBL1639538 0.71 CA1 (0.31)
SCHEMBL2985393 0.71
SCHEMBL1204722 0.71
SCHEMBL28813004 0.68
SCHEMBL7921311 0.67
SCHEMBL27641553 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398115-B2 Chrysophaentin analogs and use thereof VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
WO-2023122754-A1 PROCESSES AND INTERMEDIATES FOR PREPARING GB13, GB22 AND HIMGALINE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
US-20220144794-A1 CHRYSOPHAENTIN ANALOGS AND USE THEREOF VANDERBILT UNIVERSITY 2022-05-12 US disclosed
US-9403854-B2 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-02 US disclosed
US-20140288319-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-25 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO disclosed
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-05 US disclosed
EP-1373170-A4 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS CALIFORNIA INST OF TECHN (US) 2007-03-21 EP disclosed
US-20040097745-A9 Stereospecific disproportionation of 1,2-disubstituted hydrocarbons in the cis configuration, using metal compounds as catalysts; catalysis GRUBBS ROBERT H (US) 2004-05-20 US disclosed
EP-1373170-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-01-02 EP disclosed
US-20030100776-A1 Allows for substitution of functional groups within the olefin without comprising efficiency of metathesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-29 US disclosed
WO-2002079126-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-10 WO disclosed